SCHEMBL3515656

SCHEMBL3515656

CC(S)[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 5/20 0.50
WDR77 Q9BQA1 5/20 0.50
ADORA3 P0DMS8 2/20 0.49
AHCY P23526 3/20 0.47
ADORA2B P29275 1/20 0.47
DOT1L Q8TEK3 1/20 0.47
DPP4 P27487 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10365540 0.88 PRMT5 (0.58) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL17460352 0.87 PRMT5 (0.54) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL101381 0.86 AHCY (0.63) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL29352139 0.86 AHCY (0.63) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL28672423 0.85 PRMT5 (0.53) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL6538405 0.85 PRMT5 (0.53) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL3515650 0.84 PRMT5 (0.50) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL9052971 0.83 AHCY (0.49) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL11681025 0.83 PRMT5 (0.51) PRMT5WDR77ADORA3AHCYADORA2B
SCHEMBL4308125 0.82 DNPH1 (0.48) PRMT5WDR77AHCY

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290501-B2 Methods, assays and compounds for treating bacterial infections by inhibiting methylthioinosine phosphorylase ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-03-22 US claimed
US-20130274220-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 US claimed
WO-2012074912-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-06-07 WO claimed
US-9522159-B2 Treatment and prevention of P. aeruginosa infections using coformycin analogs ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-12-20 US disclosed
US-9290501-B2 Methods, assays and compounds for treating bacterial infections by inhibiting methylthioinosine phosphorylase ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2016-03-22 US disclosed
US-20150231165-A1 TREATMENT AND PREVENTION OF P. AERUGINOSA INFECTIONS USING COFORMYCIN ANALOGS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2015-08-20 US disclosed
WO-2014043046-A1 TREATMENT AND PREVENTION OF P. AERUGINOSA INFECTIONS USING COFORMYCIN ANALOGS ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2014-03-20 WO disclosed
US-20130274220-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 US disclosed
US-8394950-B2 Analogues of coformycin and their use for treating protozoan parasite infections INDUSTRIAL RESEARCH LIMITED (NZ) 2013-03-12 US disclosed
WO-2012074912-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) 2012-06-07 WO disclosed
US-20100330126-A1 Attenuated malaria blood-stage vaccine NATIONAL INSTITUTES OF HEALTH 2010-12-30 US disclosed
US-20090227532-A1 Analogues of Coformycin and Their Use for Treating Protozoan Parasite Infections ALBERT EINSTEIN COLLEGE OF MEDICINE 2009-09-10 US disclosed
WO-2007097643-A1 ANALOGUES OF COFORMYCIN AND THEIR USE FOR TREATING PROTOZOAN PARASITE INFECTIONS INDUSTRIAL RESEARCH LIMITED (NZ) 2007-08-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227532-A1 Analogues of Coformycin and Their Use for Treating Protozoan Parasite Infections PDF, PPIF, MT-CO1 PRMT5 3846/4885WDR77 1179/4885ADORA3 3391/4885
US-20150231165-A1 TREATMENT AND PREVENTION OF P. AERUGINOSA INFECTIONS USING COFORMYCIN ANALOGS MTAP, DCTD, ADA PRMT5 1092/4885WDR77 1740/4885ADORA3 481/4885
US-20130274220-A1 METHODS, ASSAYS AND COMPOUNDS FOR TREATING BACTERIAL INFECTIONS BY INHIBITING METHYLTHIOINOSINE PHOSPHORYLASE MTAP, MPG, MTMR1 PRMT5 349/4885WDR77 2407/4885ADORA3 2425/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.